16211492 1 2 3 4 5 6 7 8 9 10 11 65 65 65 65 8 8 8 8 8 8 8 1 1 1 2 2 2 3 3 4 4 5 6 8 5 7 9 6 10 7 11 1 1 2 1 1 2 1 2 1 2 1 5 255 1 2 3 4 5 6 7 8 9 10 11 4.5981 6.3301 2.866 8.0622 5.4641 3.732 7.1962 4.5981 6.3301 2 8.9282 0.25 0.25 0.25 0.25 0.75 0.75 0.75 -0.75 -0.75 0.75 0.75 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 163 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 7 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371000038000000000000000000001000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/7O.4Tb InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 UWZVBPNIJCKCMC-UHFFFAOYSA-N Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 747.66582 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 O7Tb4 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 747.70 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 O=[Tb]O[Tb](=O)O[Tb](=O)O[Tb]=O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 O=[Tb]O[Tb](=O)O[Tb](=O)O[Tb]=O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 96 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 747.66582 11 0 0 0 0 0 0 0 1 -1